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DINOBUTON PESTANAL
SpectraBase Compound ID GnBhyVaAvSg
InChI InChI=1S/C14H18N2O7/c1-5-9(4)11-6-10(15(18)19)7-12(16(20)21)13(11)23-14(17)22-8(2)3/h6-9H,5H2,1-4H3
InChIKey HDWLUGYOLUHEMN-UHFFFAOYSA-N
Mol Weight 326.31 g/mol
Molecular Formula C14H18N2O7
Exact Mass 326.111401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IUyA7DPtIZ3
Name Dinobuton
Source of Sample Sigma-Aldrich Cat. #45451
CAS Registry Number 973-21-7
Classification Pesticides: Fungicides, Acaricides
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 326.111400921 u
Formula C14H18N2O7
InChI InChI=1S/C14H18N2O7/c1-5-9(4)11-6-10(15(18)19)7-12(16(20)21)13(11)23-14(17)22-8(2)3/h6-9H,5H2,1-4H3
InChIKey HDWLUGYOLUHEMN-UHFFFAOYSA-N
Molecular Weight 326.305 g/mol
Number of Peaks 47
RI1 2073
SMILES CCC(C)c1cc(cc(c1OC(=O)OC(C)C)N(=O)=O)N(=O)=O
SPLASH splash10-0006-9110000000-8b886e81ebfc3129fd69
Sample Comments RI1: measured on SLB-5ms (Alkanes) RI2: measured on Equity-1 (Alkanes)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms Carbonic acid, 1-methylethyl 2-(1-methylpropyl)-4,6-dinitrophenyl ester
Wiley ID LM_PEST_166